Compound Detail
CHEMBL597979
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Basic Information
| ChEMBL ID | CHEMBL597979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGEDDOSZYQFMIT-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
1
Known Names
Molecular Properties
355.4
MW (Da)
4.12
ALogP
5
HBA
4
HBD
90.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL3308998 | IC50 | 5.15 | 5.07 | 7140.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 7140.0 | nM | 5.15 | Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site with 0.1 % ... | 20108931 |
| Genome polyprotein | IC50 | = | 7560.0 | nM | 5.12 | Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site | 20108931 |
| Genome polyprotein | IC50 | = | 7620.0 | nM | 5.12 | Inhibition of Dengue virus type 2 NS5 RNA methyltransferase at 8 nM enzyme conce... | 20108931 |
| Genome polyprotein | IC50 | = | 10240.0 | nM | 4.99 | Inhibition of Dengue virus type 2 NS5 RNA methyltransferase at 80 nM enzyme conc... | 20108931 |
| Genome polyprotein | IC50 | = | 10680.0 | nM | 4.97 | Inhibition of Dengue virus type 2 NS5 RNA methyltransferase by spin-down assay | 20108931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20108931 | 10.1021/jm900776m | Genome polyprotein | 5 |
| 20108931 | 10.1021/jm900776m | dengue virus type 2 | 1 |
| 20108931 | 10.1021/jm900776m | A549 | 1 |
Data from ChEMBL 36 via Core Engine